methyl 4-[(4-{[2-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(4-{[2-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carbonyl)amino]benzoate
methyl 4-[(4-{[2-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G768-1449 |
| Compound Name: | methyl 4-[(4-{[2-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carbonyl)amino]benzoate |
| Molecular Weight: | 522.56 |
| Molecular Formula: | C25 H23 F N6 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccc(cc1)F)=N2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7906 |
| logD: | 2.706 |
| logSw: | -3.4458 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.454 |
| InChI Key: | HCAMGXVLOFZBRC-UHFFFAOYSA-N |